8018-4720 Screening compound: [3-(1,3-benzodioxol-5-yl)-5-isoxazolyl]methanol

8018-4720 Screening compound: [3-(1,3-benzodioxol-5-yl)-5-isoxazolyl]methanol
8018-4720 Screening compound: [3-(1,3-benzodioxol-5-yl)-5-isoxazolyl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4720
[3-(1,3-benzodioxol-5-yl)-5-isoxazolyl]methanol

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8018-4720

Molecular Formula

C11H9NO4 (C11 H9 NO4)

Compound Name

[3-(1,3-benzodioxol-5-yl)-5-isoxazolyl]methanol

IUPAC name

[3-(2H-13-benzodioxol-5-yl)-12-oxazol-5-yl]methanol

SMILES

OCc1cc(-c(cc2)cc3c2OCO3)no1

InChI

InChI=1S/C11H9NO4/c13-5-8-4-9(12-16-8)7-1-2-10-11(3-7)15-6-14-10/h1-4,13H,5-6H2

InChI Key

ZHPSCWJFYANYDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06738495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

219.2

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.031

Distribution Coefficient, logD

2.031

Water Solubility, LogSw

-2.24

Polar Surface Area

55.175

Acid Dissociation Constant (pKa)

15.03

Base Dissociation Constant (pKb)

-3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

8018-4720 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

GABA Library (7115 compounds)

Regenerative Medicine Focused Library (23016 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-4720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4720?
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What is the minimum amount of 8018-4720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4720
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8018-4720 available by request